# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.70164216
_cell_length_b   11.82076684
_cell_length_c   46.34497203
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   118.45137545
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe32 P128'
_cell_volume   8044.6261934
_cell_formula_units_Z   32
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Fe  Fe1  1  0.983064  0.805899  0.373619  1
  Fe  Fe2  1  0.413585  0.093563  0.319718  1
  Fe  Fe3  1  0.732713  0.299367  0.374827  1
  Fe  Fe4  1  0.160515  0.587812  0.319906  1
  Fe  Fe5  1  0.698223  0.951282  0.347181  1
  Fe  Fe6  1  0.128328  0.238353  0.292699  1
  Fe  Fe7  1  0.877234  0.732163  0.293741  1
  Fe  Fe8  1  0.446581  0.442939  0.345974  1
  Fe  Fe9  1  0.125243  0.228039  0.485553  1
  Fe  Fe10  1  0.554178  0.517125  0.429800  1
  Fe  Fe11  1  0.875580  0.723550  0.486074  1
  Fe  Fe12  1  0.304158  0.011562  0.430298  1
  Fe  Fe13  1  0.839777  0.372930  0.457789  1
  Fe  Fe14  1  0.268280  0.661311  0.401947  1
  Fe  Fe15  1  0.018689  0.156033  0.402542  1
  Fe  Fe16  1  0.589978  0.867556  0.458389  1
  Fe  Fe17  1  0.267636  0.651394  0.597024  1
  Fe  Fe18  1  0.696347  0.939870  0.541178  1
  Fe  Fe19  1  0.018046  0.146115  0.597619  1
  Fe  Fe20  1  0.446549  0.434496  0.541777  1
  Fe  Fe21  1  0.982168  0.795864  0.569268  1
  Fe  Fe22  1  0.410745  0.083877  0.513492  1
  Fe  Fe23  1  0.161083  0.579387  0.514013  1
  Fe  Fe24  1  0.732148  0.290301  0.569766  1
  Fe  Fe25  1  0.409092  0.075264  0.705825  1
  Fe  Fe26  1  0.839745  0.364488  0.653592  1
  Fe  Fe27  1  0.157998  0.569073  0.706867  1
  Fe  Fe28  1  0.588102  0.856144  0.652385  1
  Fe  Fe29  1  0.125811  0.219615  0.679661  1
  Fe  Fe30  1  0.553613  0.508060  0.624739  1
  Fe  Fe31  1  0.303262  0.001527  0.625947  1
  Fe  Fe32  1  0.872741  0.713863  0.679848  1
  P  P33  1  0.610617  0.556464  0.281005  1
  P  P34  1  0.183371  0.273819  0.335793  1
  P  P35  1  0.506239  0.240424  0.289589  1
  P  P36  1  0.073797  0.956725  0.344321  1
  P  P37  1  0.599108  0.041228  0.280280  1
  P  P38  1  0.180855  0.776185  0.333390  1
  P  P39  1  0.576371  0.441406  0.347712  1
  P  P40  1  0.007303  0.731165  0.291843  1
  P  P41  1  0.676988  0.261467  0.330974  1
  P  P42  1  0.248562  0.977410  0.386456  1
  P  P43  1  0.679471  0.765006  0.331272  1
  P  P44  1  0.250093  0.474915  0.387409  1
  P  P45  1  0.783702  0.579271  0.321436  1
  P  P46  1  0.357698  0.294011  0.376029  1
  P  P47  1  0.853721  0.808619  0.373313  1
  P  P48  1  0.283825  0.096164  0.316795  1
  P  P49  1  0.896116  0.417136  0.307749  1
  P  P50  1  0.468279  0.127888  0.363146  1
  P  P51  1  0.787981  0.099434  0.316847  1
  P  P52  1  0.358405  0.810516  0.372362  1
  P  P53  1  0.895639  0.922408  0.304136  1
  P  P54  1  0.466339  0.630116  0.360905  1
  P  P55  1  0.862473  0.297885  0.375373  1
  P  P56  1  0.290925  0.586403  0.319176  1
  P  P57  1  0.962633  0.120447  0.358692  1
  P  P58  1  0.392808  0.407894  0.301886  1
  P  P59  1  0.963635  0.617780  0.359581  1
  P  P60  1  0.388155  0.904536  0.302554  1
  P  P61  1  0.505071  0.731713  0.293903  1
  P  P62  1  0.070630  0.438285  0.349186  1
  P  P63  1  0.566982  0.950072  0.346668  1
  P  P64  1  0.003317  0.250718  0.290241  1
  P  P65  1  0.753436  0.984455  0.390746  1
  P  P66  1  0.323684  0.695267  0.445758  1
  P  P67  1  0.644383  0.667113  0.400278  1
  P  P68  1  0.215986  0.378886  0.456300  1
  P  P69  1  0.752031  0.486498  0.389624  1
  P  P70  1  0.323490  0.198572  0.445099  1
  P  P71  1  0.719377  0.865071  0.459111  1
  P  P72  1  0.148093  0.153376  0.403529  1
  P  P73  1  0.819998  0.689076  0.442283  1
  P  P74  1  0.391087  0.400069  0.497989  1
  P  P75  1  0.821034  0.186119  0.443165  1
  P  P76  1  0.391619  0.896951  0.498688  1
  P  P77  1  0.928407  0.005626  0.431961  1
  P  P78  1  0.498919  0.716582  0.487529  1
  P  P79  1  0.995966  0.230872  0.484868  1
  P  P80  1  0.424577  0.518926  0.428860  1
  P  P81  1  0.038046  0.839842  0.417581  1
  P  P82  1  0.609598  0.551384  0.473569  1
  P  P83  1  0.930371  0.523222  0.428405  1
  P  P84  1  0.501366  0.234247  0.484117  1
  P  P85  1  0.037840  0.342806  0.417449  1
  P  P86  1  0.609078  0.054505  0.473114  1
  P  P87  1  0.004962  0.721070  0.486859  1
  P  P88  1  0.433438  0.008572  0.431303  1
  P  P89  1  0.105489  0.544567  0.470257  1
  P  P90  1  0.533638  0.831800  0.414686  1
  P  P91  1  0.106222  0.041057  0.470860  1
  P  P92  1  0.535074  0.329994  0.415304  1
  P  P93  1  0.642886  0.149922  0.404516  1
  P  P94  1  0.213525  0.861416  0.459708  1
  P  P95  1  0.710319  0.375286  0.457136  1
  P  P96  1  0.139034  0.664244  0.401371  1
  P  P97  1  0.895238  0.407358  0.501577  1
  P  P98  1  0.466328  0.118351  0.557284  1
  P  P99  1  0.787407  0.090844  0.512037  1
  P  P100  1  0.357919  0.801801  0.567605  1
  P  P101  1  0.894707  0.910475  0.500878  1
  P  P102  1  0.465291  0.621307  0.556401  1
  P  P103  1  0.861749  0.288501  0.570706  1
  P  P104  1  0.290360  0.576555  0.514698  1
  P  P105  1  0.962642  0.112160  0.553808  1
  P  P106  1  0.532890  0.822971  0.608821  1
  P  P107  1  0.962836  0.608854  0.554467  1
  P  P108  1  0.534295  0.320928  0.609942  1
  P  P109  1  0.070340  0.428541  0.543266  1
  P  P110  1  0.641943  0.140313  0.599288  1
  P  P111  1  0.138232  0.654050  0.596037  1
  P  P112  1  0.566949  0.942355  0.540455  1
  P  P113  1  0.180837  0.262859  0.529309  1
  P  P114  1  0.752688  0.975626  0.584880  1
  P  P115  1  0.072801  0.946011  0.539858  1
  P  P116  1  0.643440  0.657504  0.595050  1
  P  P117  1  0.180104  0.766369  0.528706  1
  P  P118  1  0.751252  0.477432  0.584262  1
  P  P119  1  0.147292  0.143182  0.598195  1
  P  P120  1  0.576007  0.432140  0.542430  1
  P  P121  1  0.248280  0.967585  0.581985  1
  P  P122  1  0.676728  0.256043  0.525997  1
  P  P123  1  0.248486  0.464620  0.582117  1
  P  P124  1  0.677248  0.752922  0.526452  1
  P  P125  1  0.784960  0.573179  0.515449  1
  P  P126  1  0.355955  0.284204  0.571161  1
  P  P127  1  0.852888  0.798854  0.568263  1
  P  P128  1  0.281364  0.086356  0.512707  1
  P  P129  1  0.037764  0.830016  0.613110  1
  P  P130  1  0.609337  0.545960  0.668592  1
  P  P131  1  0.928628  0.513415  0.623537  1
  P  P132  1  0.502624  0.228155  0.678130  1
  P  P133  1  0.036233  0.332512  0.612157  1
  P  P134  1  0.606854  0.042421  0.668294  1
  P  P135  1  0.002501  0.711263  0.682771  1
  P  P136  1  0.432605  0.998807  0.626253  1
  P  P137  1  0.102954  0.533608  0.663773  1
  P  P138  1  0.675709  0.250963  0.718561  1
  P  P139  1  0.105471  0.031242  0.666176  1
  P  P140  1  0.687218  0.766198  0.719286  1
  P  P141  1  0.212529  0.850701  0.655246  1
  P  P142  1  0.780087  0.567003  0.709977  1
  P  P143  1  0.279023  0.076261  0.707723  1
  P  P144  1  0.709955  0.366021  0.651854  1
  P  P145  1  0.323693  0.686980  0.640874  1
  P  P146  1  0.893518  0.399533  0.697680  1
  P  P147  1  0.215696  0.369142  0.650380  1
  P  P148  1  0.781255  0.075714  0.705663  1
  P  P149  1  0.322691  0.189647  0.639985  1
  P  P150  1  0.898171  0.902891  0.697012  1
  P  P151  1  0.283009  0.556709  0.709325  1
  P  P152  1  0.719344  0.857355  0.652898  1
  P  P153  1  0.390210  0.390290  0.691817  1
  P  P154  1  0.818047  0.679538  0.636421  1
  P  P155  1  0.390687  0.885019  0.695430  1
  P  P156  1  0.819987  0.177310  0.638662  1
  P  P157  1  0.927921  0.996910  0.627204  1
  P  P158  1  0.498345  0.707992  0.682719  1
  P  P159  1  0.995401  0.221023  0.680390  1
  P  P160  1  0.423853  0.509542  0.624193  1
